USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 311 CYS SG : rot 155:sc= -0.572 USER MOD Set 1.2: A 314 CYS SG : rot -37:sc= -0.24 USER MOD Set 1.3: A 337 CYS SG : rot -143:sc= 1.21 USER MOD Set 1.4: A 339 SER OG : rot -49:sc= 0.585 USER MOD Set 1.5: A 340 CYS SG : rot 143:sc= 0.204 USER MOD Set 2.1: A 299 CYS SG : rot -140:sc= -3.52! USER MOD Set 2.2: A 302 CYS SG : rot 106:sc= -1.43! USER MOD Set 2.3: A 319 HIS : no HD1:sc= 0.119 K(o=-8.7,f=-12!) USER MOD Set 2.4: A 322 CYS SG : rot 152:sc= -3.87! USER MOD Single : A 295 ASN : amide:sc= -6.43! C(o=-6.4!,f=-5.9!) USER MOD Single : A 310 CYS SG : rot -20:sc= -1.7! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc=-0.00978 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= -0.0136 USER MOD Single : B 1 ALA N :NH3+ -125:sc= 0.249 (180deg=-0.803) USER MOD Single : B 3 THR OG1 : rot -24:sc= 1.01 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 295 1.012 0.867 -7.382 1.00 0.00 N ATOM 44 CA ASN A 295 0.114 1.976 -7.681 1.00 0.00 C ATOM 45 C ASN A 295 0.834 3.312 -7.557 1.00 0.00 C ATOM 46 O ASN A 295 2.063 3.357 -7.464 1.00 0.00 O ATOM 47 CB ASN A 295 -1.090 1.941 -6.742 1.00 0.00 C ATOM 48 CG ASN A 295 -2.089 0.872 -7.136 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.208 0.520 -8.310 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.812 0.349 -6.157 1.00 0.00 N ATOM 0 HA ASN A 295 -0.229 1.869 -8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.749 1.760 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.581 2.914 -6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -3.500 -0.375 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -2.680 0.671 -5.198 1.00 0.00 H new ATOM 57 N GLU A 296 0.070 4.402 -7.559 1.00 0.00 N ATOM 58 CA GLU A 296 0.652 5.731 -7.440 1.00 0.00 C ATOM 59 C GLU A 296 1.357 5.881 -6.096 1.00 0.00 C ATOM 60 O GLU A 296 0.707 5.999 -5.058 1.00 0.00 O ATOM 61 CB GLU A 296 -0.426 6.806 -7.589 1.00 0.00 C ATOM 62 CG GLU A 296 -1.048 6.856 -8.972 1.00 0.00 C ATOM 63 CD GLU A 296 -1.956 8.056 -9.159 1.00 0.00 C ATOM 64 OE1 GLU A 296 -1.453 9.123 -9.570 1.00 0.00 O ATOM 65 OE2 GLU A 296 -3.170 7.928 -8.895 1.00 0.00 O ATOM 0 H GLU A 296 -0.947 4.389 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 296 1.383 5.858 -8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.210 6.626 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.009 7.779 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.257 6.883 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -1.618 5.943 -9.143 1.00 0.00 H new ATOM 72 N ASP A 297 2.686 5.861 -6.127 1.00 0.00 N ATOM 73 CA ASP A 297 3.483 5.993 -4.910 1.00 0.00 C ATOM 74 C ASP A 297 3.108 7.261 -4.151 1.00 0.00 C ATOM 75 O ASP A 297 3.689 8.321 -4.374 1.00 0.00 O ATOM 76 CB ASP A 297 4.981 6.003 -5.236 1.00 0.00 C ATOM 77 CG ASP A 297 5.258 5.986 -6.726 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.272 7.074 -7.341 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.462 4.883 -7.278 1.00 0.00 O ATOM 0 H ASP A 297 3.234 5.755 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 297 3.269 5.131 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.438 6.890 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.455 5.137 -4.773 1.00 0.00 H new ATOM 84 N GLU A 298 2.130 7.134 -3.257 1.00 0.00 N ATOM 85 CA GLU A 298 1.653 8.254 -2.449 1.00 0.00 C ATOM 86 C GLU A 298 0.451 7.829 -1.616 1.00 0.00 C ATOM 87 O GLU A 298 -0.513 7.271 -2.142 1.00 0.00 O ATOM 88 CB GLU A 298 1.278 9.444 -3.332 1.00 0.00 C ATOM 89 CG GLU A 298 0.151 9.157 -4.311 1.00 0.00 C ATOM 90 CD GLU A 298 -0.144 10.332 -5.223 1.00 0.00 C ATOM 91 OE1 GLU A 298 0.508 10.437 -6.284 1.00 0.00 O ATOM 92 OE2 GLU A 298 -1.025 11.146 -4.877 1.00 0.00 O ATOM 0 H GLU A 298 1.647 6.255 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 298 2.461 8.559 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.988 10.279 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.159 9.761 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.413 8.289 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -0.750 8.898 -3.756 1.00 0.00 H new ATOM 99 N CYS A 299 0.508 8.084 -0.313 1.00 0.00 N ATOM 100 CA CYS A 299 -0.588 7.714 0.573 1.00 0.00 C ATOM 101 C CYS A 299 -1.811 8.599 0.338 1.00 0.00 C ATOM 102 O CYS A 299 -1.808 9.786 0.665 1.00 0.00 O ATOM 103 CB CYS A 299 -0.152 7.800 2.024 1.00 0.00 C ATOM 104 SG CYS A 299 -1.536 7.885 3.197 1.00 0.00 S ATOM 0 H CYS A 299 1.294 8.541 0.149 1.00 0.00 H new ATOM 0 HA CYS A 299 -0.865 6.684 0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.462 6.931 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.478 8.680 2.154 1.00 0.00 H new ATOM 0 HG CYS A 299 -1.251 8.729 4.144 1.00 0.00 H new ATOM 109 N ALA A 300 -2.865 7.991 -0.194 1.00 0.00 N ATOM 110 CA ALA A 300 -4.099 8.700 -0.519 1.00 0.00 C ATOM 111 C ALA A 300 -4.857 9.224 0.706 1.00 0.00 C ATOM 112 O ALA A 300 -6.002 9.658 0.575 1.00 0.00 O ATOM 113 CB ALA A 300 -5.005 7.791 -1.334 1.00 0.00 C ATOM 0 H ALA A 300 -2.889 6.995 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.809 9.579 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.927 8.319 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.498 7.503 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.241 6.898 -0.755 1.00 0.00 H new ATOM 119 N VAL A 301 -4.246 9.192 1.889 1.00 0.00 N ATOM 120 CA VAL A 301 -4.928 9.684 3.085 1.00 0.00 C ATOM 121 C VAL A 301 -4.176 10.841 3.748 1.00 0.00 C ATOM 122 O VAL A 301 -4.797 11.703 4.373 1.00 0.00 O ATOM 123 CB VAL A 301 -5.183 8.559 4.124 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.696 7.219 3.611 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.539 8.882 5.467 1.00 0.00 C ATOM 0 H VAL A 301 -3.302 8.839 2.045 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.893 10.055 2.739 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.261 8.497 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -4.888 6.451 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.223 6.968 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.626 7.273 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.738 8.073 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.463 8.993 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.955 9.811 5.856 1.00 0.00 H new ATOM 135 N CYS A 302 -2.852 10.874 3.615 1.00 0.00 N ATOM 136 CA CYS A 302 -2.075 11.946 4.238 1.00 0.00 C ATOM 137 C CYS A 302 -0.932 12.409 3.338 1.00 0.00 C ATOM 138 O CYS A 302 -0.002 13.079 3.787 1.00 0.00 O ATOM 139 CB CYS A 302 -1.563 11.516 5.623 1.00 0.00 C ATOM 140 SG CYS A 302 -0.085 10.447 5.617 1.00 0.00 S ATOM 0 H CYS A 302 -2.304 10.189 3.095 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.738 12.800 4.376 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.340 12.412 6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.366 10.993 6.142 1.00 0.00 H new ATOM 0 HG CYS A 302 0.952 11.138 5.987 1.00 0.00 H new ATOM 145 N ARG A 303 -1.029 12.048 2.060 1.00 0.00 N ATOM 146 CA ARG A 303 -0.043 12.428 1.045 1.00 0.00 C ATOM 147 C ARG A 303 1.396 12.353 1.557 1.00 0.00 C ATOM 148 O ARG A 303 2.237 13.164 1.167 1.00 0.00 O ATOM 149 CB ARG A 303 -0.335 13.843 0.539 1.00 0.00 C ATOM 150 CG ARG A 303 -1.776 14.057 0.104 1.00 0.00 C ATOM 151 CD ARG A 303 -2.165 13.107 -1.013 1.00 0.00 C ATOM 152 NE ARG A 303 -3.576 13.229 -1.371 1.00 0.00 N ATOM 153 CZ ARG A 303 -4.186 12.444 -2.255 1.00 0.00 C ATOM 154 NH1 ARG A 303 -3.514 11.474 -2.862 1.00 0.00 N ATOM 155 NH2 ARG A 303 -5.471 12.627 -2.529 1.00 0.00 N ATOM 0 H ARG A 303 -1.795 11.482 1.696 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.133 11.709 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.094 14.557 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.324 14.061 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.440 13.911 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.908 15.086 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.550 13.308 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.957 12.082 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.125 13.958 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.527 11.328 -2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.985 10.874 -3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.991 13.370 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.939 12.025 -3.207 1.00 0.00 H new ATOM 169 N ASP A 304 1.683 11.384 2.418 1.00 0.00 N ATOM 170 CA ASP A 304 3.032 11.226 2.952 1.00 0.00 C ATOM 171 C ASP A 304 3.688 9.964 2.403 1.00 0.00 C ATOM 172 O ASP A 304 3.077 9.220 1.629 1.00 0.00 O ATOM 173 CB ASP A 304 3.014 11.186 4.482 1.00 0.00 C ATOM 174 CG ASP A 304 2.788 12.555 5.096 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.654 13.436 4.916 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.745 12.747 5.755 1.00 0.00 O ATOM 0 H ASP A 304 1.007 10.701 2.760 1.00 0.00 H new ATOM 0 HA ASP A 304 3.618 12.089 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.229 10.508 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 304 3.959 10.781 4.843 1.00 0.00 H new ATOM 181 N GLY A 305 4.934 9.732 2.809 1.00 0.00 N ATOM 182 CA GLY A 305 5.661 8.566 2.346 1.00 0.00 C ATOM 183 C GLY A 305 5.856 7.525 3.431 1.00 0.00 C ATOM 184 O GLY A 305 5.587 7.778 4.604 1.00 0.00 O ATOM 0 H GLY A 305 5.452 10.332 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.124 8.117 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.635 8.877 1.968 1.00 0.00 H new ATOM 188 N GLY A 306 6.344 6.359 3.026 1.00 0.00 N ATOM 189 CA GLY A 306 6.560 5.263 3.954 1.00 0.00 C ATOM 190 C GLY A 306 6.035 3.967 3.380 1.00 0.00 C ATOM 191 O GLY A 306 5.897 3.848 2.166 1.00 0.00 O ATOM 0 H GLY A 306 6.597 6.151 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.624 5.167 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.061 5.476 4.899 1.00 0.00 H new ATOM 195 N GLU A 307 5.735 2.990 4.225 1.00 0.00 N ATOM 196 CA GLU A 307 5.211 1.730 3.724 1.00 0.00 C ATOM 197 C GLU A 307 3.729 1.882 3.412 1.00 0.00 C ATOM 198 O GLU A 307 2.913 2.071 4.315 1.00 0.00 O ATOM 199 CB GLU A 307 5.427 0.606 4.742 1.00 0.00 C ATOM 200 CG GLU A 307 5.131 -0.783 4.191 1.00 0.00 C ATOM 201 CD GLU A 307 3.673 -1.180 4.333 1.00 0.00 C ATOM 202 OE1 GLU A 307 2.856 -0.750 3.494 1.00 0.00 O ATOM 203 OE2 GLU A 307 3.352 -1.927 5.280 1.00 0.00 O ATOM 0 H GLU A 307 5.843 3.043 5.238 1.00 0.00 H new ATOM 0 HA GLU A 307 5.746 1.466 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.459 0.637 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.792 0.786 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 307 5.410 -0.817 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.753 -1.513 4.709 1.00 0.00 H new ATOM 210 N LEU A 308 3.383 1.802 2.130 1.00 0.00 N ATOM 211 CA LEU A 308 1.994 1.932 1.719 1.00 0.00 C ATOM 212 C LEU A 308 1.518 0.673 1.006 1.00 0.00 C ATOM 213 O LEU A 308 2.312 -0.071 0.432 1.00 0.00 O ATOM 214 CB LEU A 308 1.784 3.142 0.803 1.00 0.00 C ATOM 215 CG LEU A 308 2.811 4.259 0.903 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.645 5.208 -0.272 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.634 5.007 2.203 1.00 0.00 C ATOM 0 H LEU A 308 4.041 1.649 1.366 1.00 0.00 H new ATOM 0 HA LEU A 308 1.408 2.078 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.764 2.789 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.801 3.563 1.015 1.00 0.00 H new ATOM 0 HG LEU A 308 3.813 3.831 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.381 6.009 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.792 4.662 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.642 5.635 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.373 5.805 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.633 5.436 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.768 4.320 3.039 1.00 0.00 H new ATOM 229 N ILE A 309 0.210 0.458 1.046 1.00 0.00 N ATOM 230 CA ILE A 309 -0.412 -0.700 0.420 1.00 0.00 C ATOM 231 C ILE A 309 -1.220 -0.282 -0.806 1.00 0.00 C ATOM 232 O ILE A 309 -2.154 0.512 -0.708 1.00 0.00 O ATOM 233 CB ILE A 309 -1.329 -1.413 1.425 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.090 -2.559 0.762 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.292 -0.420 2.047 1.00 0.00 C ATOM 236 CD1 ILE A 309 -2.968 -3.327 1.726 1.00 0.00 C ATOM 0 H ILE A 309 -0.449 1.081 1.513 1.00 0.00 H new ATOM 0 HA ILE A 309 0.377 -1.382 0.103 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.707 -1.840 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.707 -2.159 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.376 -3.245 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.938 -0.936 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.729 0.357 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.902 0.034 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.481 -4.127 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.352 -3.755 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.704 -2.653 2.164 1.00 0.00 H new ATOM 248 N CYS A 310 -0.855 -0.828 -1.957 1.00 0.00 N ATOM 249 CA CYS A 310 -1.528 -0.502 -3.206 1.00 0.00 C ATOM 250 C CYS A 310 -2.887 -1.193 -3.310 1.00 0.00 C ATOM 251 O CYS A 310 -3.043 -2.348 -2.914 1.00 0.00 O ATOM 252 CB CYS A 310 -0.645 -0.902 -4.388 1.00 0.00 C ATOM 253 SG CYS A 310 -1.123 -2.451 -5.190 1.00 0.00 S ATOM 0 H CYS A 310 -0.094 -1.501 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.701 0.574 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.667 -0.102 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 310 0.385 -0.989 -4.043 1.00 0.00 H new ATOM 0 HG CYS A 310 -1.853 -3.154 -4.376 1.00 0.00 H new ATOM 259 N CYS A 311 -3.866 -0.469 -3.844 1.00 0.00 N ATOM 260 CA CYS A 311 -5.216 -0.995 -4.018 1.00 0.00 C ATOM 261 C CYS A 311 -5.366 -1.665 -5.380 1.00 0.00 C ATOM 262 O CYS A 311 -5.258 -1.013 -6.418 1.00 0.00 O ATOM 263 CB CYS A 311 -6.245 0.130 -3.879 1.00 0.00 C ATOM 264 SG CYS A 311 -7.932 -0.336 -4.390 1.00 0.00 S ATOM 0 H CYS A 311 -3.748 0.492 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.392 -1.740 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.270 0.459 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.919 0.982 -4.475 1.00 0.00 H new ATOM 0 HG CYS A 311 -8.795 0.421 -3.780 1.00 0.00 H new ATOM 269 N ASP A 312 -5.618 -2.972 -5.368 1.00 0.00 N ATOM 270 CA ASP A 312 -5.787 -3.736 -6.600 1.00 0.00 C ATOM 271 C ASP A 312 -6.834 -3.091 -7.505 1.00 0.00 C ATOM 272 O ASP A 312 -6.866 -3.343 -8.709 1.00 0.00 O ATOM 273 CB ASP A 312 -6.186 -5.177 -6.280 1.00 0.00 C ATOM 274 CG ASP A 312 -5.080 -5.942 -5.580 1.00 0.00 C ATOM 275 OD1 ASP A 312 -4.998 -5.866 -4.337 1.00 0.00 O ATOM 276 OD2 ASP A 312 -4.295 -6.619 -6.277 1.00 0.00 O ATOM 0 H ASP A 312 -5.710 -3.525 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.834 -3.740 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -7.076 -5.173 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -6.451 -5.691 -7.204 1.00 0.00 H new ATOM 281 N GLY A 313 -7.690 -2.260 -6.914 1.00 0.00 N ATOM 282 CA GLY A 313 -8.723 -1.586 -7.680 1.00 0.00 C ATOM 283 C GLY A 313 -8.230 -0.291 -8.297 1.00 0.00 C ATOM 284 O GLY A 313 -7.955 -0.233 -9.497 1.00 0.00 O ATOM 0 H GLY A 313 -7.686 -2.042 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.079 -2.249 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.574 -1.376 -7.032 1.00 0.00 H new ATOM 288 N CYS A 314 -8.119 0.749 -7.476 1.00 0.00 N ATOM 289 CA CYS A 314 -7.653 2.050 -7.945 1.00 0.00 C ATOM 290 C CYS A 314 -6.158 2.225 -7.674 1.00 0.00 C ATOM 291 O CYS A 314 -5.614 1.615 -6.756 1.00 0.00 O ATOM 292 CB CYS A 314 -8.445 3.172 -7.272 1.00 0.00 C ATOM 293 SG CYS A 314 -8.208 3.279 -5.471 1.00 0.00 S ATOM 0 H CYS A 314 -8.346 0.716 -6.482 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.814 2.100 -9.022 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.159 4.123 -7.722 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.505 3.027 -7.479 1.00 0.00 H new ATOM 0 HG CYS A 314 -8.100 2.082 -4.976 1.00 0.00 H new ATOM 298 N PRO A 315 -5.478 3.051 -8.494 1.00 0.00 N ATOM 299 CA PRO A 315 -4.034 3.322 -8.363 1.00 0.00 C ATOM 300 C PRO A 315 -3.678 4.157 -7.129 1.00 0.00 C ATOM 301 O PRO A 315 -3.159 5.267 -7.258 1.00 0.00 O ATOM 302 CB PRO A 315 -3.697 4.121 -9.632 1.00 0.00 C ATOM 303 CG PRO A 315 -4.872 3.961 -10.536 1.00 0.00 C ATOM 304 CD PRO A 315 -6.057 3.764 -9.641 1.00 0.00 C ATOM 0 HA PRO A 315 -3.477 2.392 -8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.523 5.171 -9.398 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.788 3.745 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.001 4.840 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.739 3.108 -11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.503 4.713 -9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.840 3.182 -10.127 1.00 0.00 H new ATOM 312 N ARG A 316 -3.921 3.616 -5.939 1.00 0.00 N ATOM 313 CA ARG A 316 -3.624 4.337 -4.705 1.00 0.00 C ATOM 314 C ARG A 316 -2.867 3.466 -3.707 1.00 0.00 C ATOM 315 O ARG A 316 -2.778 2.250 -3.866 1.00 0.00 O ATOM 316 CB ARG A 316 -4.915 4.848 -4.069 1.00 0.00 C ATOM 317 CG ARG A 316 -5.438 6.126 -4.701 1.00 0.00 C ATOM 318 CD ARG A 316 -6.693 6.613 -3.996 1.00 0.00 C ATOM 319 NE ARG A 316 -7.912 6.119 -4.631 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.132 6.314 -4.138 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.294 6.981 -3.002 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.192 5.841 -4.780 1.00 0.00 N ATOM 0 H ARG A 316 -4.320 2.687 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 316 -2.985 5.181 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.679 4.075 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.743 5.021 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.670 6.898 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.654 5.952 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -6.671 6.290 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.705 7.703 -3.991 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.823 5.595 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.482 7.346 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.231 7.129 -2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.072 5.327 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.127 5.991 -4.401 1.00 0.00 H new ATOM 336 N ALA A 317 -2.326 4.112 -2.679 1.00 0.00 N ATOM 337 CA ALA A 317 -1.573 3.429 -1.633 1.00 0.00 C ATOM 338 C ALA A 317 -1.984 3.966 -0.254 1.00 0.00 C ATOM 339 O ALA A 317 -2.322 5.142 -0.128 1.00 0.00 O ATOM 340 CB ALA A 317 -0.082 3.622 -1.863 1.00 0.00 C ATOM 0 H ALA A 317 -2.397 5.121 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 317 -1.795 2.362 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.476 3.110 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 317 0.193 3.209 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 317 0.155 4.686 -1.841 1.00 0.00 H new ATOM 346 N PHE A 318 -1.964 3.115 0.777 1.00 0.00 N ATOM 347 CA PHE A 318 -2.361 3.545 2.125 1.00 0.00 C ATOM 348 C PHE A 318 -1.340 3.137 3.195 1.00 0.00 C ATOM 349 O PHE A 318 -0.687 2.104 3.086 1.00 0.00 O ATOM 350 CB PHE A 318 -3.744 2.973 2.468 1.00 0.00 C ATOM 351 CG PHE A 318 -4.867 3.610 1.709 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.047 3.325 0.376 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.742 4.484 2.329 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.078 3.894 -0.336 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.780 5.062 1.624 1.00 0.00 C ATOM 356 CZ PHE A 318 -6.949 4.767 0.286 1.00 0.00 C ATOM 0 H PHE A 318 -1.682 2.137 0.708 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.402 4.634 2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.744 1.902 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.923 3.097 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.370 2.645 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.612 4.717 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.206 3.658 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.457 5.743 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.758 5.216 -0.271 1.00 0.00 H new ATOM 366 N HIS A 319 -1.223 3.962 4.239 1.00 0.00 N ATOM 367 CA HIS A 319 -0.285 3.707 5.340 1.00 0.00 C ATOM 368 C HIS A 319 -0.833 2.690 6.333 1.00 0.00 C ATOM 369 O HIS A 319 -0.584 2.810 7.531 1.00 0.00 O ATOM 370 CB HIS A 319 -0.005 4.996 6.109 1.00 0.00 C ATOM 371 CG HIS A 319 1.180 5.771 5.651 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.100 7.106 5.340 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.475 5.419 5.496 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.301 7.550 5.013 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.154 6.545 5.101 1.00 0.00 N ATOM 0 H HIS A 319 -1.769 4.817 4.347 1.00 0.00 H new ATOM 0 HA HIS A 319 0.626 3.316 4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.884 5.637 6.042 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.130 4.748 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.897 4.437 5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.544 8.562 4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.154 6.597 4.907 1.00 0.00 H new ATOM 383 N LEU A 320 -1.580 1.705 5.851 1.00 0.00 N ATOM 384 CA LEU A 320 -2.148 0.686 6.730 1.00 0.00 C ATOM 385 C LEU A 320 -3.136 1.310 7.704 1.00 0.00 C ATOM 386 O LEU A 320 -4.348 1.225 7.521 1.00 0.00 O ATOM 387 CB LEU A 320 -1.040 -0.020 7.508 1.00 0.00 C ATOM 388 CG LEU A 320 0.058 -0.667 6.664 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.502 -1.959 7.295 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.425 -0.920 5.251 1.00 0.00 C ATOM 0 H LEU A 320 -1.807 1.588 4.863 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.673 -0.042 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.577 0.702 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.494 -0.790 8.132 1.00 0.00 H new ATOM 0 HG LEU A 320 0.904 0.019 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.284 -2.412 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.889 -1.762 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.346 -2.641 7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.374 -1.381 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.287 -1.587 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.710 0.025 4.789 1.00 0.00 H new ATOM 402 N ALA A 321 -2.598 1.934 8.746 1.00 0.00 N ATOM 403 CA ALA A 321 -3.411 2.586 9.755 1.00 0.00 C ATOM 404 C ALA A 321 -4.045 3.856 9.207 1.00 0.00 C ATOM 405 O ALA A 321 -4.953 4.421 9.817 1.00 0.00 O ATOM 406 CB ALA A 321 -2.570 2.885 10.982 1.00 0.00 C ATOM 0 H ALA A 321 -1.594 2.000 8.911 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.219 1.912 10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.187 3.375 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.173 1.954 11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.745 3.542 10.706 1.00 0.00 H new ATOM 412 N CYS A 322 -3.561 4.301 8.050 1.00 0.00 N ATOM 413 CA CYS A 322 -4.109 5.501 7.413 1.00 0.00 C ATOM 414 C CYS A 322 -5.446 5.170 6.764 1.00 0.00 C ATOM 415 O CYS A 322 -6.107 6.032 6.184 1.00 0.00 O ATOM 416 CB CYS A 322 -3.142 6.066 6.369 1.00 0.00 C ATOM 417 SG CYS A 322 -2.056 7.402 6.998 1.00 0.00 S ATOM 0 H CYS A 322 -2.799 3.857 7.537 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.254 6.262 8.180 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.520 5.255 5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.718 6.447 5.526 1.00 0.00 H new ATOM 0 HG CYS A 322 -0.941 7.406 6.329 1.00 0.00 H new ATOM 422 N LEU A 323 -5.827 3.905 6.875 1.00 0.00 N ATOM 423 CA LEU A 323 -7.082 3.413 6.317 1.00 0.00 C ATOM 424 C LEU A 323 -8.213 3.558 7.321 1.00 0.00 C ATOM 425 O LEU A 323 -7.960 3.688 8.519 1.00 0.00 O ATOM 426 CB LEU A 323 -6.931 1.935 5.961 1.00 0.00 C ATOM 427 CG LEU A 323 -6.326 1.648 4.602 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.705 0.262 4.589 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.391 1.772 3.531 1.00 0.00 C ATOM 0 H LEU A 323 -5.277 3.191 7.353 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.317 3.999 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.314 1.458 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.914 1.466 6.008 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.540 2.375 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.273 0.066 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.924 0.206 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.472 -0.482 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -6.952 1.565 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.190 1.058 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.798 2.783 3.538 1.00 0.00 H new ATOM 441 N SER A 324 -9.461 3.551 6.846 1.00 0.00 N ATOM 442 CA SER A 324 -10.584 3.631 7.771 1.00 0.00 C ATOM 443 C SER A 324 -10.397 2.513 8.793 1.00 0.00 C ATOM 444 O SER A 324 -10.333 2.775 9.995 1.00 0.00 O ATOM 445 CB SER A 324 -11.939 3.549 7.053 1.00 0.00 C ATOM 446 OG SER A 324 -12.982 3.248 7.964 1.00 0.00 O ATOM 0 H SER A 324 -9.711 3.493 5.859 1.00 0.00 H new ATOM 0 HA SER A 324 -10.597 4.600 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.148 4.496 6.556 1.00 0.00 H new ATOM 0 HB3 SER A 324 -11.897 2.784 6.277 1.00 0.00 H new ATOM 0 HG SER A 324 -13.834 3.203 7.482 1.00 0.00 H new ATOM 452 N PRO A 325 -10.300 1.239 8.338 1.00 0.00 N ATOM 453 CA PRO A 325 -10.007 0.123 9.198 1.00 0.00 C ATOM 454 C PRO A 325 -8.553 -0.283 9.003 1.00 0.00 C ATOM 455 O PRO A 325 -8.173 -0.780 7.941 1.00 0.00 O ATOM 456 CB PRO A 325 -10.935 -0.947 8.685 1.00 0.00 C ATOM 457 CG PRO A 325 -11.132 -0.632 7.225 1.00 0.00 C ATOM 458 CD PRO A 325 -10.531 0.742 6.976 1.00 0.00 C ATOM 0 HA PRO A 325 -10.142 0.324 10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.504 -1.939 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.884 -0.936 9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.647 -1.383 6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -12.192 -0.641 6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.605 0.682 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.210 1.387 6.418 1.00 0.00 H new ATOM 466 N PRO A 326 -7.727 -0.085 10.021 1.00 0.00 N ATOM 467 CA PRO A 326 -6.299 -0.351 9.947 1.00 0.00 C ATOM 468 C PRO A 326 -5.946 -1.799 9.737 1.00 0.00 C ATOM 469 O PRO A 326 -6.567 -2.712 10.280 1.00 0.00 O ATOM 470 CB PRO A 326 -5.754 0.156 11.267 1.00 0.00 C ATOM 471 CG PRO A 326 -6.840 0.999 11.828 1.00 0.00 C ATOM 472 CD PRO A 326 -8.117 0.389 11.337 1.00 0.00 C ATOM 0 HA PRO A 326 -5.868 0.144 9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -5.508 -0.669 11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -4.840 0.733 11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.804 1.011 12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.746 2.033 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.458 -0.422 11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.926 1.117 11.287 1.00 0.00 H new ATOM 480 N LEU A 327 -4.929 -1.971 8.924 1.00 0.00 N ATOM 481 CA LEU A 327 -4.416 -3.281 8.583 1.00 0.00 C ATOM 482 C LEU A 327 -3.413 -3.766 9.618 1.00 0.00 C ATOM 483 O LEU A 327 -2.202 -3.650 9.421 1.00 0.00 O ATOM 484 CB LEU A 327 -3.764 -3.236 7.208 1.00 0.00 C ATOM 485 CG LEU A 327 -4.618 -2.583 6.137 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.841 -2.431 4.854 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.869 -3.396 5.908 1.00 0.00 C ATOM 0 H LEU A 327 -4.430 -1.202 8.477 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.251 -3.982 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.820 -2.697 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.526 -4.253 6.897 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.904 -1.588 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.472 -1.961 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.963 -1.809 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.525 -3.413 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.476 -2.920 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.596 -4.401 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.439 -3.455 6.835 1.00 0.00 H new ATOM 499 N ARG A 328 -3.922 -4.295 10.728 1.00 0.00 N ATOM 500 CA ARG A 328 -3.066 -4.828 11.784 1.00 0.00 C ATOM 501 C ARG A 328 -2.034 -5.754 11.162 1.00 0.00 C ATOM 502 O ARG A 328 -0.962 -5.996 11.716 1.00 0.00 O ATOM 503 CB ARG A 328 -3.895 -5.609 12.805 1.00 0.00 C ATOM 504 CG ARG A 328 -4.720 -4.748 13.741 1.00 0.00 C ATOM 505 CD ARG A 328 -5.731 -3.889 12.998 1.00 0.00 C ATOM 506 NE ARG A 328 -6.569 -3.117 13.911 1.00 0.00 N ATOM 507 CZ ARG A 328 -7.800 -2.709 13.618 1.00 0.00 C ATOM 508 NH1 ARG A 328 -8.343 -3.012 12.447 1.00 0.00 N ATOM 509 NH2 ARG A 328 -8.492 -2.000 14.500 1.00 0.00 N ATOM 0 H ARG A 328 -4.921 -4.366 10.919 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.573 -4.000 12.294 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.563 -6.284 12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.224 -6.229 13.400 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -5.243 -5.387 14.452 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -4.056 -4.105 14.319 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -5.206 -3.210 12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -6.362 -4.526 12.378 1.00 0.00 H new ATOM 0 HE ARG A 328 -6.188 -2.877 14.826 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -7.816 -3.560 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -9.288 -2.697 12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -8.080 -1.768 15.404 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -9.436 -1.687 14.275 1.00 0.00 H new ATOM 523 N GLU A 329 -2.395 -6.259 9.994 1.00 0.00 N ATOM 524 CA GLU A 329 -1.552 -7.155 9.224 1.00 0.00 C ATOM 525 C GLU A 329 -2.032 -7.170 7.783 1.00 0.00 C ATOM 526 O GLU A 329 -3.156 -7.580 7.492 1.00 0.00 O ATOM 527 CB GLU A 329 -1.565 -8.566 9.816 1.00 0.00 C ATOM 528 CG GLU A 329 -2.960 -9.100 10.077 1.00 0.00 C ATOM 529 CD GLU A 329 -2.948 -10.464 10.740 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.865 -10.517 11.985 1.00 0.00 O ATOM 531 OE2 GLU A 329 -3.023 -11.477 10.015 1.00 0.00 O ATOM 0 H GLU A 329 -3.291 -6.056 9.550 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.523 -6.797 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -1.047 -9.242 9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -1.004 -8.564 10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.501 -8.397 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.503 -9.163 9.134 1.00 0.00 H new ATOM 538 N ILE A 330 -1.169 -6.701 6.893 1.00 0.00 N ATOM 539 CA ILE A 330 -1.480 -6.605 5.477 1.00 0.00 C ATOM 540 C ILE A 330 -2.322 -7.770 4.956 1.00 0.00 C ATOM 541 O ILE A 330 -2.050 -8.937 5.244 1.00 0.00 O ATOM 542 CB ILE A 330 -0.191 -6.455 4.646 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.417 -5.078 4.920 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.476 -6.633 3.159 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.555 -3.952 4.699 1.00 0.00 C ATOM 0 H ILE A 330 -0.233 -6.376 7.134 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.092 -5.710 5.361 1.00 0.00 H new ATOM 0 HB ILE A 330 0.517 -7.231 4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.776 -5.044 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.284 -4.935 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.450 -6.522 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.891 -7.626 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.192 -5.878 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.065 -3.002 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.895 -3.963 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.410 -4.074 5.363 1.00 0.00 H new ATOM 557 N PRO A 331 -3.371 -7.430 4.176 1.00 0.00 N ATOM 558 CA PRO A 331 -4.302 -8.394 3.578 1.00 0.00 C ATOM 559 C PRO A 331 -3.611 -9.626 3.009 1.00 0.00 C ATOM 560 O PRO A 331 -2.421 -9.589 2.684 1.00 0.00 O ATOM 561 CB PRO A 331 -4.937 -7.586 2.456 1.00 0.00 C ATOM 562 CG PRO A 331 -4.957 -6.197 2.980 1.00 0.00 C ATOM 563 CD PRO A 331 -3.731 -6.044 3.820 1.00 0.00 C ATOM 0 HA PRO A 331 -5.003 -8.790 4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.357 -7.657 1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.942 -7.941 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.961 -5.474 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.856 -6.017 3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.929 -5.551 3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.927 -5.441 4.707 1.00 0.00 H new ATOM 571 N SER A 332 -4.373 -10.705 2.866 1.00 0.00 N ATOM 572 CA SER A 332 -3.840 -11.956 2.340 1.00 0.00 C ATOM 573 C SER A 332 -4.073 -12.066 0.837 1.00 0.00 C ATOM 574 O SER A 332 -5.066 -12.642 0.393 1.00 0.00 O ATOM 575 CB SER A 332 -4.476 -13.142 3.057 1.00 0.00 C ATOM 576 OG SER A 332 -4.208 -14.355 2.377 1.00 0.00 O ATOM 0 H SER A 332 -5.363 -10.738 3.108 1.00 0.00 H new ATOM 0 HA SER A 332 -2.765 -11.965 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.094 -13.201 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.553 -12.992 3.128 1.00 0.00 H new ATOM 0 HG SER A 332 -4.626 -15.099 2.859 1.00 0.00 H new ATOM 582 N GLY A 333 -3.152 -11.506 0.060 1.00 0.00 N ATOM 583 CA GLY A 333 -3.274 -11.553 -1.384 1.00 0.00 C ATOM 584 C GLY A 333 -3.871 -10.285 -1.962 1.00 0.00 C ATOM 585 O GLY A 333 -3.198 -9.258 -2.047 1.00 0.00 O ATOM 0 H GLY A 333 -2.324 -11.021 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.290 -11.719 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -3.896 -12.403 -1.665 1.00 0.00 H new ATOM 589 N THR A 334 -5.139 -10.357 -2.355 1.00 0.00 N ATOM 590 CA THR A 334 -5.830 -9.211 -2.937 1.00 0.00 C ATOM 591 C THR A 334 -6.262 -8.214 -1.867 1.00 0.00 C ATOM 592 O THR A 334 -6.269 -8.525 -0.677 1.00 0.00 O ATOM 593 CB THR A 334 -7.070 -9.653 -3.735 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.947 -10.413 -2.895 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.668 -10.485 -4.943 1.00 0.00 C ATOM 0 H THR A 334 -5.710 -11.199 -2.281 1.00 0.00 H new ATOM 0 HA THR A 334 -5.120 -8.728 -3.609 1.00 0.00 H new ATOM 0 HB THR A 334 -7.587 -8.760 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.734 -10.689 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.561 -10.786 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 334 -6.024 -9.894 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.130 -11.373 -4.611 1.00 0.00 H new ATOM 603 N TRP A 335 -6.627 -7.012 -2.310 1.00 0.00 N ATOM 604 CA TRP A 335 -7.067 -5.951 -1.410 1.00 0.00 C ATOM 605 C TRP A 335 -7.446 -4.700 -2.190 1.00 0.00 C ATOM 606 O TRP A 335 -6.684 -4.228 -3.033 1.00 0.00 O ATOM 607 CB TRP A 335 -5.976 -5.606 -0.396 1.00 0.00 C ATOM 608 CG TRP A 335 -6.325 -4.430 0.466 1.00 0.00 C ATOM 609 CD1 TRP A 335 -7.082 -4.446 1.602 1.00 0.00 C ATOM 610 CD2 TRP A 335 -5.933 -3.066 0.263 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.175 -3.181 2.125 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.485 -2.317 1.318 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.169 -2.404 -0.706 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.296 -0.945 1.434 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -4.984 -1.038 -0.588 1.00 0.00 C ATOM 616 CH2 TRP A 335 -5.547 -0.322 0.475 1.00 0.00 C ATOM 0 H TRP A 335 -6.626 -6.749 -3.295 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.944 -6.318 -0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.791 -6.472 0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.048 -5.397 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.541 -5.326 2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.676 -2.926 2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -4.733 -2.949 -1.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.726 -0.390 2.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -4.396 -0.516 -1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -5.386 0.744 0.539 1.00 0.00 H new ATOM 627 N ARG A 336 -8.628 -4.166 -1.905 1.00 0.00 N ATOM 628 CA ARG A 336 -9.100 -2.963 -2.571 1.00 0.00 C ATOM 629 C ARG A 336 -8.788 -1.725 -1.733 1.00 0.00 C ATOM 630 O ARG A 336 -7.633 -1.340 -1.601 1.00 0.00 O ATOM 631 CB ARG A 336 -10.600 -3.073 -2.845 1.00 0.00 C ATOM 632 CG ARG A 336 -10.932 -4.037 -3.971 1.00 0.00 C ATOM 633 CD ARG A 336 -12.428 -4.123 -4.205 1.00 0.00 C ATOM 634 NE ARG A 336 -12.745 -4.482 -5.586 1.00 0.00 N ATOM 635 CZ ARG A 336 -13.424 -5.572 -5.929 1.00 0.00 C ATOM 636 NH1 ARG A 336 -13.856 -6.410 -4.996 1.00 0.00 N ATOM 637 NH2 ARG A 336 -13.670 -5.828 -7.207 1.00 0.00 N ATOM 0 H ARG A 336 -9.276 -4.549 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.580 -2.861 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.106 -3.398 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -10.991 -2.086 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -10.437 -3.713 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.543 -5.026 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.859 -4.862 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.889 -3.165 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.427 -3.860 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -13.667 -6.219 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -14.377 -7.246 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -13.338 -5.188 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -14.191 -6.665 -7.468 1.00 0.00 H new ATOM 651 N CYS A 337 -9.822 -1.111 -1.173 1.00 0.00 N ATOM 652 CA CYS A 337 -9.676 0.081 -0.341 1.00 0.00 C ATOM 653 C CYS A 337 -11.060 0.595 0.009 1.00 0.00 C ATOM 654 O CYS A 337 -11.982 0.440 -0.779 1.00 0.00 O ATOM 655 CB CYS A 337 -8.866 1.171 -1.051 1.00 0.00 C ATOM 656 SG CYS A 337 -9.823 2.158 -2.240 1.00 0.00 S ATOM 0 H CYS A 337 -10.787 -1.424 -1.281 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.130 -0.183 0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.441 1.838 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -8.030 0.705 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 337 -9.081 2.434 -3.271 1.00 0.00 H new ATOM 661 N SER A 338 -11.197 1.213 1.176 1.00 0.00 N ATOM 662 CA SER A 338 -12.495 1.709 1.648 1.00 0.00 C ATOM 663 C SER A 338 -13.448 2.115 0.515 1.00 0.00 C ATOM 664 O SER A 338 -14.629 1.769 0.548 1.00 0.00 O ATOM 665 CB SER A 338 -12.305 2.881 2.604 1.00 0.00 C ATOM 666 OG SER A 338 -11.826 4.029 1.924 1.00 0.00 O ATOM 0 H SER A 338 -10.424 1.386 1.819 1.00 0.00 H new ATOM 0 HA SER A 338 -12.962 0.873 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.252 3.113 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.603 2.602 3.390 1.00 0.00 H new ATOM 0 HG SER A 338 -11.715 4.765 2.562 1.00 0.00 H new ATOM 672 N SER A 339 -12.948 2.844 -0.483 1.00 0.00 N ATOM 673 CA SER A 339 -13.791 3.285 -1.595 1.00 0.00 C ATOM 674 C SER A 339 -14.209 2.125 -2.501 1.00 0.00 C ATOM 675 O SER A 339 -15.399 1.847 -2.655 1.00 0.00 O ATOM 676 CB SER A 339 -13.078 4.357 -2.405 1.00 0.00 C ATOM 677 OG SER A 339 -11.922 3.847 -3.041 1.00 0.00 O ATOM 0 H SER A 339 -11.974 3.139 -0.545 1.00 0.00 H new ATOM 0 HA SER A 339 -14.701 3.703 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.759 4.760 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.799 5.183 -1.751 1.00 0.00 H new ATOM 0 HG SER A 339 -11.378 3.358 -2.388 1.00 0.00 H new ATOM 683 N CYS A 340 -13.234 1.447 -3.102 1.00 0.00 N ATOM 684 CA CYS A 340 -13.519 0.329 -3.986 1.00 0.00 C ATOM 685 C CYS A 340 -14.215 -0.782 -3.213 1.00 0.00 C ATOM 686 O CYS A 340 -14.781 -1.708 -3.791 1.00 0.00 O ATOM 687 CB CYS A 340 -12.223 -0.200 -4.602 1.00 0.00 C ATOM 688 SG CYS A 340 -11.272 1.038 -5.542 1.00 0.00 S ATOM 0 H CYS A 340 -12.242 1.655 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.176 0.673 -4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.592 -0.596 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.463 -1.033 -5.263 1.00 0.00 H new ATOM 0 HG CYS A 340 -10.001 0.842 -5.355 1.00 0.00 H new ATOM 693 N LEU A 341 -14.161 -0.662 -1.896 1.00 0.00 N ATOM 694 CA LEU A 341 -14.757 -1.623 -0.991 1.00 0.00 C ATOM 695 C LEU A 341 -16.258 -1.419 -0.871 1.00 0.00 C ATOM 696 O LEU A 341 -17.039 -2.341 -1.106 1.00 0.00 O ATOM 697 CB LEU A 341 -14.082 -1.502 0.368 1.00 0.00 C ATOM 698 CG LEU A 341 -12.723 -2.193 0.469 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.089 -1.946 1.818 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.868 -3.675 0.196 1.00 0.00 C ATOM 0 H LEU A 341 -13.697 0.114 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.605 -2.627 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.955 -0.445 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.744 -1.920 1.126 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.062 -1.768 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.123 -2.449 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.948 -0.875 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.738 -2.336 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.893 -4.156 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.547 -4.115 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.269 -3.823 -0.807 1.00 0.00 H new ATOM 803 N ALA B 1 -1.566 -8.230 0.232 1.00 0.00 N ATOM 804 CA ALA B 1 -1.627 -7.054 -0.676 1.00 0.00 C ATOM 805 C ALA B 1 -0.237 -6.483 -0.944 1.00 0.00 C ATOM 806 O ALA B 1 0.673 -6.619 -0.128 1.00 0.00 O ATOM 807 CB ALA B 1 -2.544 -5.986 -0.098 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.034 -9.042 -0.220 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.572 -8.467 0.427 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.049 -8.005 1.125 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.036 -7.388 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.578 -5.131 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.547 -6.394 0.022 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.164 -5.666 0.872 1.00 0.00 H new ATOM 815 N ARG B 2 -0.090 -5.841 -2.101 1.00 0.00 N ATOM 816 CA ARG B 2 1.183 -5.252 -2.508 1.00 0.00 C ATOM 817 C ARG B 2 1.503 -3.990 -1.714 1.00 0.00 C ATOM 818 O ARG B 2 1.061 -2.900 -2.070 1.00 0.00 O ATOM 819 CB ARG B 2 1.146 -4.919 -4.001 1.00 0.00 C ATOM 820 CG ARG B 2 0.919 -6.134 -4.887 1.00 0.00 C ATOM 821 CD ARG B 2 0.656 -5.736 -6.330 1.00 0.00 C ATOM 822 NE ARG B 2 0.424 -6.901 -7.180 1.00 0.00 N ATOM 823 CZ ARG B 2 -0.740 -7.172 -7.762 1.00 0.00 C ATOM 824 NH1 ARG B 2 -1.778 -6.363 -7.590 1.00 0.00 N ATOM 825 NH2 ARG B 2 -0.870 -8.255 -8.516 1.00 0.00 N ATOM 0 H ARG B 2 -0.843 -5.715 -2.777 1.00 0.00 H new ATOM 0 HA ARG B 2 1.965 -5.984 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG B 2 0.354 -4.193 -4.184 1.00 0.00 H new ATOM 0 HB3 ARG B 2 2.086 -4.444 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG B 2 1.792 -6.785 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG B 2 0.073 -6.708 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.211 -5.076 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG B 2 1.506 -5.171 -6.712 1.00 0.00 H new ATOM 0 HE ARG B 2 1.200 -7.544 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -1.684 -5.530 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -2.669 -6.575 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.076 -8.881 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.764 -8.462 -8.962 1.00 0.00 H new ATOM 839 N THR B 3 2.277 -4.139 -0.645 1.00 0.00 N ATOM 840 CA THR B 3 2.657 -2.997 0.180 1.00 0.00 C ATOM 841 C THR B 3 4.178 -2.837 0.206 1.00 0.00 C ATOM 842 O THR B 3 4.892 -3.663 0.775 1.00 0.00 O ATOM 843 CB THR B 3 2.119 -3.123 1.624 1.00 0.00 C ATOM 844 OG1 THR B 3 3.080 -3.778 2.463 1.00 0.00 O ATOM 845 CG2 THR B 3 0.816 -3.906 1.643 1.00 0.00 C ATOM 0 H THR B 3 2.652 -5.034 -0.330 1.00 0.00 H new ATOM 0 HA THR B 3 2.207 -2.112 -0.269 1.00 0.00 H new ATOM 0 HB THR B 3 1.937 -2.118 2.004 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.676 -4.326 1.911 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.453 -3.984 2.668 1.00 0.00 H new ATOM 0 HG22 THR B 3 0.073 -3.391 1.033 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.986 -4.905 1.241 1.00 0.00 H new ATOM 853 N LYS B 4 4.669 -1.775 -0.431 1.00 0.00 N ATOM 854 CA LYS B 4 6.105 -1.516 -0.490 1.00 0.00 C ATOM 855 C LYS B 4 6.486 -0.307 0.357 1.00 0.00 C ATOM 856 O LYS B 4 5.649 0.544 0.659 1.00 0.00 O ATOM 857 CB LYS B 4 6.555 -1.297 -1.938 1.00 0.00 C ATOM 858 CG LYS B 4 5.766 -0.224 -2.674 1.00 0.00 C ATOM 859 CD LYS B 4 6.612 0.458 -3.736 1.00 0.00 C ATOM 860 CE LYS B 4 5.831 1.544 -4.460 1.00 0.00 C ATOM 861 NZ LYS B 4 6.670 2.259 -5.463 1.00 0.00 N ATOM 0 H LYS B 4 4.095 -1.082 -0.912 1.00 0.00 H new ATOM 0 HA LYS B 4 6.613 -2.392 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.611 -1.025 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.465 -2.237 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.887 -0.671 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS B 4 5.407 0.518 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS B 4 7.498 0.893 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.960 -0.283 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.969 1.100 -4.958 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.446 2.259 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.100 2.991 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 7.479 2.705 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.017 1.581 -6.171 1.00 0.00 H new ATOM 875 N GLN B 5 7.760 -0.242 0.737 1.00 0.00 N ATOM 876 CA GLN B 5 8.264 0.860 1.550 1.00 0.00 C ATOM 877 C GLN B 5 8.758 2.005 0.673 1.00 0.00 C ATOM 878 O GLN B 5 9.911 2.018 0.241 1.00 0.00 O ATOM 879 CB GLN B 5 9.393 0.374 2.461 1.00 0.00 C ATOM 880 CG GLN B 5 10.000 1.476 3.316 1.00 0.00 C ATOM 881 CD GLN B 5 11.171 0.994 4.149 1.00 0.00 C ATOM 882 OE1 GLN B 5 12.318 1.026 3.703 1.00 0.00 O ATOM 883 NE2 GLN B 5 10.888 0.546 5.366 1.00 0.00 N ATOM 0 H GLN B 5 8.462 -0.941 0.494 1.00 0.00 H new ATOM 0 HA GLN B 5 7.443 1.229 2.165 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.011 -0.412 3.113 1.00 0.00 H new ATOM 0 HB3 GLN B 5 10.176 -0.073 1.849 1.00 0.00 H new ATOM 0 HG2 GLN B 5 10.329 2.291 2.671 1.00 0.00 H new ATOM 0 HG3 GLN B 5 9.233 1.882 3.976 1.00 0.00 H new ATOM 0 HE21 GLN B 5 9.922 0.538 5.695 1.00 0.00 H new ATOM 0 HE22 GLN B 5 11.636 0.210 5.973 1.00 0.00 H new ATOM 892 N THR B 6 7.876 2.962 0.412 1.00 0.00 N ATOM 893 CA THR B 6 8.220 4.118 -0.406 1.00 0.00 C ATOM 894 C THR B 6 8.585 5.310 0.475 1.00 0.00 C ATOM 895 O THR B 6 8.670 5.189 1.697 1.00 0.00 O ATOM 896 CB THR B 6 7.050 4.517 -1.329 1.00 0.00 C ATOM 897 OG1 THR B 6 7.492 5.474 -2.300 1.00 0.00 O ATOM 898 CG2 THR B 6 5.901 5.103 -0.521 1.00 0.00 C ATOM 0 H THR B 6 6.916 2.960 0.756 1.00 0.00 H new ATOM 0 HA THR B 6 9.077 3.839 -1.019 1.00 0.00 H new ATOM 0 HB THR B 6 6.698 3.620 -1.839 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.743 5.719 -2.882 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.087 5.377 -1.192 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.546 4.363 0.196 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.246 5.989 0.012 1.00 0.00 H new